2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

C22H24F3N5O3 — CID 155166807

IUPAC2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCN(C)C(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O3/c1-21(2,33)9-8-13-11-30-12-16(14(10-18(30)26-13)20(32)29(3)4)28-19(31)15-6-5-7-17(27-15)22(23,24)25/h5-7,10-12,33H,8-9H2,1-4H3,(H,28,31)
InChIKeyOPURYAVLEKRVHI-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.41
Rot. Bonds6

About 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155166807) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155166807
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCN(C)C(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O3/c1-21(2,33)9-8-13-11-30-12-16(14(10-18(30)26-13)20(32)29(3)4)28-19(31)15-6-5-7-17(27-15)22(23,24)25/h5-7,10-12,33H,8-9H2,1-4H3,(H,28,31)
InChIKeyOPURYAVLEKRVHI-UHFFFAOYSA-N
XLogP3.41
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155166807) is 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is CN(C)C(=O)c1cc2nc(CCC(C)(C)O)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is OPURYAVLEKRVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O3/c1-21(2,33)9-8-13-11-30-12-16(14(10-18(30)26-13)20(32)29(3)4)28-19(31)15-6-5-7-17(27-15)22(23,24)25/h5-7,10-12,33H,8-9H2,1-4H3,(H,28,31).
What are the key properties of 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylbutyl)-N,N-dimethyl-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155166807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).